CID 2782940

2-bromo-6-fluoroaniline

Structural Information

Molecular Formula
C6H5BrFN
SMILES
C1=CC(=C(C(=C1)Br)N)F
InChI
InChI=1S/C6H5BrFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
ALZFPYUPNVLVQM-UHFFFAOYSA-N
Compound name
2-bromo-6-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

413
Patents

188.95894 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.96622 129.0
[M+Na]+ 211.94816 141.7
[M-H]- 187.95166 134.2
[M+NH4]+ 206.99276 152.0
[M+K]+ 227.92210 130.3
[M+H-H2O]+ 171.95620 128.5
[M+HCOO]- 233.95714 151.2
[M+CH3COO]- 247.97279 182.0
[M+Na-2H]- 209.93361 136.8
[M]+ 188.95839 144.3
[M]- 188.95949 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe